Vitas-M small molecule compound

2-(acetylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Catalog ID
STK288085
SMILES CC(=O)Nc1sc2c(c1C(=O)O)CCCC2

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C11H13NO3S MW 239.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H13NO3S/c1-6(13)12-10-9(11(14)15)7-4-2-3-5-8(7)16-10/h2-5H2,1H3,(H,12,13)(H,14,15)
InChIKey
YQJPHNLITLRBAJ-UHFFFAOYSA-N
Synonyms
13130-43-3
13130433
2(acetylamino)4567tetrahydro1benzothiophene3carboxylicacid
2acetamido4567tetrahydro1benzothiophene3carboxylicacid
2acetamido4567tetrahydrobenzo(b)thiophene3carboxylicacid
CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O
InChI=1SC11H13NO3Sc16(13)12109(11(14)15)742358(7)1610h25H21H3(H1213)(H1415)
MFCD00228323
ZINC000000121527
ZINC121527

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.